0 B6R0.1 CC#CC(=O)OC CS-0066219 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCCC(Cl)CC CS-0102884 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 CCOC(=O)C#N CS-0022374 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CNC(=O)CC#N CS-W018827 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 COC(=O)C#CBr CS-0043861 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 COC(=O)CCBr CS-W008728 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(=O)CC#N CS-W020196 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C\C(N)=C\C#N CS-0005803 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 BrC\C=C\CBr CS-0017873 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 CCC(=N)NO CS-D0340 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.3 CCC(Br)CC CS-0015742 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 NNC(=O)CO CS-W006527 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,1,0,0,0,0|1,0,1]=3 25 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.7 CCOC(=O)CNC CS-W020595 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.10 C=C(CBr)C(=O)OC CS-W017298 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.1 BrCC1=CSC=C1 CS-0019157 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.1 CCC1=NN=CO1 CS-0028803 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 COC1=CSC=C1 CS-W008023 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.1 NCC1=CC=CS1 CS-W007649 [0,0,0,1,0,0|1,1,1]=4 35 B7R1.1 OCC1=CC=NO1 CS-D0212 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.1 OCC1=COC=C1 CS-W007708 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.1 OCC1=NNC=C1 CS-0052530 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.2 NC1=CC(=O)NN1 CS-W005676 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,1,0,0|1,0,1]=3 42 B7R1.3 O=C1CCNCC1 CS-W018762 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.3 O=C1CCNCC1 CS-W020094 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 OC1=NCCC=C1 CS-W006454 [0,0,0,1,0,0|1,0,1]=3 48 B7R1.4 CN1N=CC=C1O CS-W008402 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,0,0,1,0,0|2,0,1]=4 53 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,0]=3 55 B4R0.1 CCC(=N)N CS-W019290 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CCS(=O)[O-] CS-0020098 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,1,0,0,0,0|0,0,0]=2 59 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,1,0,0,0,0|0,0,0]=2 60 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [1,1,0,0,0,0|0,0,0]=2 61 B6R0.4 CC(=O)NCCN CS-W013694 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.4 CC(=O)NCCO CS-W013689 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|0,0,0]=2 64 B8R0.2 CON(C)C(=O)C(C)C CS-D0582 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,2,0,0,0,0|0,0,2]=4 67 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,2,0,0,0,0|0,0,2]=4 68 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,2,0,0,0,0|0,0,1]=3 69 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,2,0,0,0,0|1,0,0]=3 70 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,2,0,0,0,0|0,0,0]=2 72 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|0,0,2]=4 74 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [0,2,0,0,0,0|0,0,1]=3 75 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|0,0,1]=3 78 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [0,2,0,0,0,0|1,0,1]=4 81 B6R1.2 CC1=CC=CS1 CS-W011331 [1,0,0,1,0,0|0,1,1]=4 82 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|0,0,0]=2 83 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.2 O=C1C=CNN1 CS-W004179 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.1 C1=CCNCC1 CS-W021272 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.1 CC1=CC(CCl)=NO1 CS-0037640 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.1 CC1=CC(CO)=NO1 CS-W013653 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.1 CC1=NC(CO)=CS1 CS-0045367 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,1,0,1,0,0|1,0,1]=4 92 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.4 CC1=CC(=O)NC=N1 CS-W001866 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.4 CC1=CC=CC(=O)N1 CS-W011283 [0,1,0,1,0,0|0,0,2]=4 95 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,1,0,0|0,0,0]=2 96 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.18 CC1=NN(C)C(N)=C1 CS-W007940 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.18 CN1SC(Cl)=CC1=O CS-W018768 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.3 CC1=CNC(=O)C=C1 CS-W011282 [0,1,0,1,0,0|0,0,2]=4 101 B8R1.3 CC1=CNC(=O)C=N1 CS-W008795 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,1,0,0|0,0,2]=4 103 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.5 CC1=NC=CNC1=O CS-W016627 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|0,0,2]=4 107 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.5 CN1C=CC=CC1=O CS-0063949 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.50 CC1=NNC(=O)C1Br CS-0060060 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.50 O=C1CCC(=O)N1I CS-W008878 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.7 CC(C)C1=NNC=C1 CS-0054479 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.8 CNCC1=CC=CS1 CS-W018825 [0,1,0,1,0,0|0,1,1]=4 115 B8R1.8 CNCC1=CSC=C1 CS-B1142 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.8 NCCC1=CC=CO1 CS-B1143 [0,1,0,1,0,0|0,0,2]=4 117 B8R1.8 OCCC1=CC=CS1 CS-W020421 [0,1,0,1,0,0|0,1,1]=4